File name: Pandora75s1_EssexMD_20241011_L2Fit_fout2c1d20221230p1-8.txt File generation date: 20241015T175124.4Z Data description: Level 2 spectral fitting results file Data file version: fout2c1p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 75 Spectrometer number: 1 Processing software version used: BlickP v1.8.60 Instrument operation file used: Pandora75_OF_v3d20220127.txt Instrument calibration file used: Pandora75s1_CF_v104d20221230.txt Level 1 file used: Pandora75s1_EssexMD_20241011_L1_smca1c1d20221230p1-8.txt Full location name: MDE Essex Monitoring Site Short location name: EssexMD Country of location: United States Location latitude [deg]: 39.3109 Location longitude [deg]: -76.4745 Location altitude [m]: 12 Local noon date: 20241011 Notes on s-number (L1 configuration): Corrections NOT applied although requested by the s-number are latency correction, matrix method stray light correction (replaced by simple method) Data caveats: OoB-data based on session 103 First and last pixel inside fitting window: 196 337 Nominal wavelengths inside fitting window [nm]: 305.0663 305.2078 305.3493 305.4908 305.6322 305.7737 305.9151 306.0566 306.1980 306.3394 306.4807 306.6221 306.7635 306.9048 307.0461 307.1874 307.3287 307.4700 307.6112 307.7524 307.8937 308.0349 308.1761 308.3172 308.4584 308.5996 308.7407 308.8818 309.0229 309.1640 309.3051 309.4461 309.5872 309.7282 309.8692 310.0102 310.1512 310.2921 310.4331 310.5740 310.7149 310.8558 310.9967 311.1376 311.2784 311.4193 311.5601 311.7009 311.8417 311.9825 312.1233 312.2640 312.4048 312.5455 312.6862 312.8269 312.9676 313.1083 313.2489 313.3896 313.5302 313.6708 313.8114 313.9520 314.0925 314.2331 314.3736 314.5141 314.6547 314.7951 314.9356 315.0761 315.2165 315.3570 315.4974 315.6378 315.7782 315.9186 316.0590 316.1993 316.3397 316.4800 316.6203 316.7606 316.9009 317.0411 317.1814 317.3216 317.4619 317.6021 317.7423 317.8825 318.0227 318.1628 318.3030 318.4431 318.5832 318.7233 318.8634 319.0035 319.1436 319.2836 319.4237 319.5637 319.7037 319.8437 319.9837 320.1237 320.2636 320.4036 320.5435 320.6834 320.8233 320.9632 321.1031 321.2430 321.3828 321.5227 321.6625 321.8023 321.9421 322.0819 322.2217 322.3615 322.5012 322.6409 322.7807 322.9204 323.0601 323.1998 323.3395 323.4791 323.6188 323.7584 323.8980 324.0376 324.1772 324.3168 324.4564 324.5960 324.7355 324.8750 --------------------------------------------------------------------------------------- Column 1: Two letter code of measurement routine Column 2: UT date and time for center-time of measurement, yyyymmddThhmmssZ (ISO 8601) Column 3: Fractional days since 1-Jan-2000 midnight for center-time of measurement Column 4: Routine count (1 for the first routine of the day, 2 for the second, etc.) Column 5: Repetition count (1 for the first set in the routine, 2 for the second, etc.) Column 6: Total duration of measurement set in seconds Column 7: Data processing type index Column 8: Solar zenith angle for center-time of measurement in degree Column 9: Solar azimuth for center-time of measurement in degree, 0=north, increases clockwise Column 10: Lunar zenith angle for center-time of measurement in degree Column 11: Lunar azimuth for center-time of measurement in degree, 0=north, increases clockwise Column 12: Pointing zenith angle in degree, absolute or relative (see next column), 999=tracker not used Column 13: Zenith pointing mode: zenith angle is... 0=absolute, 1=relative to sun, 2=relative to moon Column 14: Pointing azimuth in degree, increases clockwise, absolute (0=north) or relative (see next column), 999=tracker not used Column 15: Azimuth pointing mode: like zenith angle mode but also fixed scattering angles relative to sun (3) or moon (4) Column 16: Fitting result index: 0=no error or warning, 1, 2=warning, >2=error Column 17: Number of function evaluations used, 0=linear fitting or fitting not successful or no fitting done Column 18: rms of unweighted fitting residuals, -9=fitting not successful Column 19: Normalized rms of fitting residuals weighted with independent uncertainty, -9=fitting not successful or no uncertainty used Column 20: Expected rms based on independent uncertainty, -9=fitting not successful or no uncertainty given Column 21: Expected normalized weighted rms based on independent uncertainty, -9=fitting not successful or no uncertainty given Column 22: Ozone slant column amount [moles per square meter], -9e99=fitting not successful Column 23: Independent uncertainty of ozone slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -3=spectral fitting was done, but no independent uncertainty could be retrieved, -5=no independent uncertainty input was given, -9=spectral fitting not successful Column 24: Structured uncertainty of ozone slant column amount [moles per square meter], -7=not given since method "MEAS" was chosen, -9=spectral fitting not successful Column 25: Common uncertainty of ozone slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -6=no common uncertainty input was given, -7=not given since method "MEAS" was chosen, -9=spectral fitting not successful Column 26: rms-based uncertainty of ozone slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -3=spectral fitting was done, but no rms-based uncertainty could be retrieved, -9=spectral fitting not successful Column 27: Ozone effective temperature [K] Column 28: Independent uncertainty of ozone effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -2=no temperature fitting was requested and output for effective temperature and structured uncertainty of it is based on f-code, -3=spectral fitting was done, but no independent uncertainty could be retrieved, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -5=no independent uncertainty input was given, -9=spectral fitting not successful Column 29: Structured uncertainty of ozone effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -9=spectral fitting not successful Column 30: Common uncertainty of ozone effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -2=no temperature fitting was requested and output for effective temperature and structured uncertainty of it is based on f-code, -3=spectral fitting was done, but no common uncertainty could be retrieved, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -6=no common uncertainty input was given, -9=spectral fitting not successful Column 31: Effective ozone fitting wavelength [nm], -9=fitting not successful Column 32: Diffuse correction applied before fitting at effective fitting wavelength for ozone [%], 0=no diffuse correction applied or fitting not requested, >0=measured diffuse correction, <0=(negative value of) calculated diffuse correction Column 33: Sulfur dioxide slant column amount [moles per square meter], -9e99=fitting not successful Column 34: Independent uncertainty of sulfur dioxide slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -3=spectral fitting was done, but no independent uncertainty could be retrieved, -5=no independent uncertainty input was given, -9=spectral fitting not successful Column 35: Structured uncertainty of sulfur dioxide slant column amount [moles per square meter], -7=not given since method "MEAS" was chosen, -9=spectral fitting not successful Column 36: Common uncertainty of sulfur dioxide slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -6=no common uncertainty input was given, -7=not given since method "MEAS" was chosen, -9=spectral fitting not successful Column 37: rms-based uncertainty of sulfur dioxide slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -3=spectral fitting was done, but no rms-based uncertainty could be retrieved, -9=spectral fitting not successful Column 38: Sulfur dioxide effective temperature [K] Column 39: Independent uncertainty of sulfur dioxide effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -2=no temperature fitting was requested and output for effective temperature and structured uncertainty of it is based on f-code, -3=spectral fitting was done, but no independent uncertainty could be retrieved, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -5=no independent uncertainty input was given, -9=spectral fitting not successful Column 40: Structured uncertainty of sulfur dioxide effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -9=spectral fitting not successful Column 41: Common uncertainty of sulfur dioxide effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -2=no temperature fitting was requested and output for effective temperature and structured uncertainty of it is based on f-code, -3=spectral fitting was done, but no common uncertainty could be retrieved, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -6=no common uncertainty input was given, -9=spectral fitting not successful Column 42: Effective sulfur dioxide fitting wavelength [nm], -9=fitting not successful Column 43: Diffuse correction applied before fitting at effective fitting wavelength for sulfur dioxide [%], 0=no diffuse correction applied or fitting not requested, >0=measured diffuse correction, <0=(negative value of) calculated diffuse correction Column 44: Molecular scattering air mass factor used for molecular scattering subtraction before the fitting Column 45: Estimated uncertainty of molecular scattering air mass factor, -9=molecular scattering was not subtracted before the fitting Column 46: Lower limit used for wavelength scaling [nm] Column 47: Upper limit used for wavelength scaling [nm] Column 48: Order of smoothing polynomial Column 49: Smoothing polynomial coefficient, order 0 Column 50: Independent uncertainty of smoothing polynomial coefficient, order 0, -9=fitting not successful Column 51: Structured uncertainty of smoothing polynomial coefficient, order 0, -9=fitting not successful Column 52: Common uncertainty of smoothing polynomial coefficient, order 0, -9=fitting not successful Column 53: rms-based uncertainty of smoothing polynomial coefficient, order 0, -9=fitting not successful Column 54: Smoothing polynomial coefficient, order 1 Column 55: Independent uncertainty of smoothing polynomial coefficient, order 1, -9=fitting not successful Column 56: Structured uncertainty of smoothing polynomial coefficient, order 1, -9=fitting not successful Column 57: Common uncertainty of smoothing polynomial coefficient, order 1, -9=fitting not successful Column 58: rms-based uncertainty of smoothing polynomial coefficient, order 1, -9=fitting not successful Column 59: Smoothing polynomial coefficient, order 2 Column 60: Independent uncertainty of smoothing polynomial coefficient, order 2, -9=fitting not successful Column 61: Structured uncertainty of smoothing polynomial coefficient, order 2, -9=fitting not successful Column 62: Common uncertainty of smoothing polynomial coefficient, order 2, -9=fitting not successful Column 63: rms-based uncertainty of smoothing polynomial coefficient, order 2, -9=fitting not successful Column 64: Smoothing polynomial coefficient, order 3 Column 65: Independent uncertainty of smoothing polynomial coefficient, order 3, -9=fitting not successful Column 66: Structured uncertainty of smoothing polynomial coefficient, order 3, -9=fitting not successful Column 67: Common uncertainty of smoothing polynomial coefficient, order 3, -9=fitting not successful Column 68: rms-based uncertainty of smoothing polynomial coefficient, order 3, -9=fitting not successful Column 69: Mean value of measured data inside fitting window [same units as measurements] Column 70: Wavelength change polynomial coefficient, order 0 Column 71: Independent uncertainty of wavelength change polynomial coefficient, order 0, -9=fitting not successful Column 72: Structured uncertainty of wavelength change polynomial coefficient, order 0, -9=fitting not successful Column 73: Common uncertainty of wavelength change polynomial coefficient, order 0, -9=fitting not successful Column 74: rms-based uncertainty of wavelength change polynomial coefficient, order 0, -9=fitting not successful Column 75: L1 based wavelength change coefficient, order 0, -9=no L1 wavelength change determination Column 76: L1 based wavelength change coefficient, order 1, -9=no L1 wavelength change determination Column 77: L2Fit data quality flag: 0=assured high quality, 1=assured medium quality, 2=assured low quality, 10=not-assured high quality, 11=not-assured medium quality, 12=not-assured low quality Column 78: Sum over 2^i using those i, for which the corresponding L2Fit data quality parameter exceeds the DQ1 limit, 0=L1 data quality above 0, 1=Spectral fitting was not successful, 2=Wavelength shift too large, 3=Normalized rms of fitting residuals weighted with independent uncertainty too large Column 79: Sum over 2^i using those i, for which the corresponding L2Fit data quality parameter exceeds the DQ2 limit (same parameters as for DQ1) Column 80: L1 data quality flag: 0=assured high quality, 1=assured medium quality, 2=assured low quality, 10=not-assured high quality, 11=not-assured medium quality, 12=not-assured low quality Column 81: Sum over 2^i using those i, for which the corresponding L1 data quality parameter exceeds the DQ1 limit, 0=Saturated data, 1=Too few dark counts measurements, 2=No temperature given or effective temperature too different from the reference temperature, 3=Dark count too high, 4=Unsuccessful dark background fitting, 5=The dark count differs significantly from the dark map for too many pixels, 6=Absolute value of estimated average residual stray light level too high, 7=Although attempted, no wavelength change could be retrieved, 8=Absolute value of retrieved wavelength shift too large, 9=Retrieved wavelength shift differs too much from the shift predicted by the effective temperature Column 82: Sum over 2^i using those i, for which the corresponding L1 data quality parameter exceeds the DQ2 limit (same parameters as for DQ1) Column 83: Atmospheric variability [%], 999=no atmospheric variability was determined Column 84: Wavelength effective temperature [°C], 999=no effective temperature given Column 85: Estimated average residual stray light level [%] (only valid for stray light correction methods 2 and higher) Column 86: Retrieved wavelength shift from L1 data [nm], -9=no wavelength change determination Column 87: Retrieved total wavelength shift [nm], -9=no wavelength change fitting Column 88: Number of bright count cycles Column 89: Number of dark count cycles Column 90: Effective position of filterwheel #1, 0=filterwheel not used, 1-9 are valid positions Column 91: Effective position of filterwheel #2, 0=filterwheel not used, 1-9 are valid positions Column 92: Sum over 2^i, 0=spectra were interpolated in time, 1=spectra are corrected for off-target signal Column 93: Integration time [ms] Column 94: Temperature at electronics board [°C], 999=no temperature signal Column 95: Spectrometer control temperature [°C], 999=no temperature signal Column 96: Auxiliary spectrometer temperature [°C], 999=no temperature signal Column 97: Temperature in head sensor [°C], 999=no temperature signal Column 98: Humidity in head sensor [%], -9=no humidity signal Column 99: Pressure in head sensor [hPa], -9=no pressure signal Columns 100-241: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 242-383: Normalized slant column residuals weighted with independent instrumental uncertainty for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting, 0=no independent instrumental uncertainty was given --------------------------------------------------------------------------------------- SS 20241011T114407.5Z 9050.488975 50 1 51.71 2 84.80 103.87 166.46 358.82 0.00 1 0.00 1 0 33 8.213e-01 5.849e-02 3.103e-01 1.945e-02 9.162493e-01 1.173761e-02 1.039590e-02 -6.000000e+00 5.017919e-01 226.52 -2.00 3.48 -2.00 321.94 0.00e+00 1.851800e-04 4.336097e-03 4.944384e-04 -6.000000e+00 2.343439e-02 285.82 -2.00 20.00 -2.00 321.39 0.00e+00 9.525 0.015 302.00 328.00 3 -3.4118e-02 3.8930e-02 1.0647e-01 -6.0000e+00 1.2425e+00 1.9566e+00 4.6247e-02 4.6913e-02 -6.0000e+00 1.3477e+00 -2.2284e+00 2.7398e-02 2.3320e-02 -6.0000e+00 8.0322e-01 8.1327e-01 1.4538e-02 7.6124e-03 -6.0000e+00 3.4293e-01 1.4442e-05 -7.1765e-04 5.5924e-04 1.1598e-04 -6.0000e+00 2.5528e-02 -2.5070e-02 3.0223e-05 12 8 8 10 0 0 42.66 23.36 1.71 -0.02507 -0.03046 27 4 1 5 0 1915.120 26.11 20.00 23.36 16.91 5.5 935.95 150890 159480 68860 130141 -39108 25599 53293 47607 -51865 -32532 -28453 178704 111457 900000 30525 900000 109282 37953 900000 328583 900000 900000 129785 72023 57748 32127 900000 56131 147184 -46319 36299 40017 341680 110597 117771 900000 -57179 87863 65944 -6067 3818 60619 25411 108500 58736 87943 179143 4878 122275 900000 32484 64364 379608 344065 -18621 56702 15086 27106 15237 28988 -5739 33458 -8905 26182 -2049 -58338 8734 10526 62323 151794 13950 1644 27214 -4843 38210 48068 -15162 -9183 -7264 -6765 22246 -43522 7810 43675 25436 -10409 20086 -684 20015 7721 -12115 -26781 17355 -15879 -9922 19174 6450 10006 4733 6394 -6723 -3018 2027 3717 5535 5856 3287 -710 467 3502 6943 100 -2111 -2315 -1304 -2979 1684 -2350 -5006 6241 -1801 5010 5199 656 1854 -9578 3080 -7708 -643 3626 669 -3510 968 -944 -926 117 2230 3126 -2054 577 -465 -547 6428 6291 6193 5339 -6972 2019 2943 2704 -7774 -3850 -3098 3383 3837 900000 3100 900000 5643 3985 900000 6221 900000 900000 3798 3719 3379 2322 900000 2609 2787 -5660 2187 2617 6469 3807 3446 900000 -9153 3630 3859 -814 493 4487 2624 4669 3943 4238 3392 529 4209 900000 3131 4874 7187 6514 -3718 5368 2129 3541 2077 3238 -902 3801 -1720 3916 -423 -20986 1621 2013 7788 8622 3354 451 5513 -1229 5570 5642 -3186 -1912 -1705 -1883 5433 -23402 2750 11411 8428 -5163 7568 -320 7465 3099 -5551 -13589 5717 -7937 -5410 9257 4164 7142 3835 5073 -5689 -2223 1308 2358 3636 4069 2520 -625 462 3866 8361 139 -3077 -3348 -1819 -4180 2311 -3524 -8066 9111 -2776 6905 6900 883 2397 -13637 3925 -12039 -1085 6748 1439 -7823 2226 -2385 -2502 326 6229 8707 -5893 1524 -1155 -1279 SS 20241011T115531.6Z 9050.496893 53 1 51.71 2 82.67 105.74 166.29 9.15 0.00 1 0.00 1 0 17 4.576e-01 2.074e-02 9.294e-02 3.668e-03 8.019368e-01 2.120981e-03 1.012807e-02 -6.000000e+00 2.765022e-01 226.52 -2.00 3.48 -2.00 321.63 0.00e+00 6.950778e-03 1.141522e-03 8.558401e-03 -6.000000e+00 1.232417e-02 285.82 -2.00 20.00 -2.00 321.13 0.00e+00 7.235 0.007 302.00 328.00 3 1.6059e-01 7.7517e-03 9.2891e-02 -6.0000e+00 6.8370e-01 6.9234e-01 1.0377e-02 6.6687e-02 -6.0000e+00 7.3802e-01 -9.8922e-01 9.0093e-03 3.2040e-02 -6.0000e+00 4.4114e-01 4.0518e-01 4.1982e-03 8.1408e-03 -6.0000e+00 1.8943e-01 1.5296e-04 -1.7453e-03 1.0455e-04 2.3586e-04 -6.0000e+00 1.4084e-02 -2.7355e-02 1.4130e-04 12 8 8 10 0 0 7.09 23.35 0.77 -0.02736 -0.04047 112 18 1 5 0 461.630 26.11 19.99 23.35 18.31 5.5 946.76 -146894 -92971 -75540 -97201 -156764 -165961 -109591 -173964 -154244 -152584 -151029 -108942 -62270 -83926 -79628 58672 -27183 -41136 19679 2824 30894 60901 39625 2496 -32452 -25917 12764 -2365 -554 -51109 3612 -11638 39866 9084 7793 82335 -3317 34558 19520 5980 15867 23735 19565 35668 24389 30756 28267 28598 39524 44234 17949 28026 38013 32762 21800 21211 20228 17005 14363 16365 6267 9818 13019 17119 11130 5599 7295 6491 11592 17067 8109 6645 6774 1404 6546 2228 -2637 -4780 -3004 -1182 -1966 -5970 660 510 507 -819 963 1119 769 -488 -2156 -5463 -1163 -6223 -4814 -1815 -211 -862 -514 -1249 -2512 -2751 -3106 -2475 -2478 -2535 -1425 -920 -405 533 830 366 126 -547 -415 -883 94 -168 552 1272 1531 2448 3100 1577 1956 -235 528 -588 358 431 494 -486 -76 -92 -262 320 658 469 -104 -110 -976 -1943 -4059 -1723 -1228 -1864 -4841 -5126 -1888 -5882 -4463 -4464 -4468 -2337 -1032 -2210 -2511 553 -680 -1284 352 61 492 693 554 52 -981 -741 245 -51 -12 -1911 102 -458 1069 351 295 1443 -145 1174 907 370 987 1451 1294 2041 1570 1881 1809 1892 2473 2847 1662 2606 3494 3421 2674 2693 2619 2232 1864 2037 887 1471 2146 3043 2233 1195 1550 1460 2732 4303 2439 2098 2091 427 1711 549 -650 -1255 -885 -409 -809 -2933 335 278 268 -464 560 664 456 -282 -1311 -3270 -662 -3977 -3150 -1358 -183 -862 -556 -1365 -2624 -2619 -2745 -2168 -2293 -2494 -1486 -1044 -512 696 1209 572 202 -864 -634 -1327 143 -268 916 2144 2530 3861 4686 2338 2792 -335 747 -905 622 786 1000 -1077 -166 -216 -655 833 1745 1258 -277 -278 -2332 -4422 SS 20241011T120601.2Z 9050.504180 56 1 51.93 2 80.72 107.49 165.81 18.25 0.00 1 0.00 1 0 17 5.386e-01 1.287e-02 3.957e-02 1.513e-03 6.936907e-01 8.420205e-04 8.559967e-03 -6.000000e+00 3.255117e-01 226.52 -2.00 3.48 -2.00 320.92 0.00e+00 4.118101e-03 3.843774e-04 5.038586e-03 -6.000000e+00 1.450734e-02 285.82 -2.00 20.00 -2.00 320.34 0.00e+00 5.894 0.004 302.00 328.00 3 1.2849e-01 2.7484e-03 7.2379e-02 -6.0000e+00 8.0488e-01 1.9244e-01 3.6666e-03 4.6602e-02 -6.0000e+00 8.6879e-01 -2.7486e-01 3.4966e-03 2.3171e-02 -6.0000e+00 5.1930e-01 1.0437e-01 1.6924e-03 6.2833e-03 -6.0000e+00 2.2303e-01 6.5940e-04 -1.3806e-03 4.3702e-05 1.3329e-04 -6.0000e+00 1.6578e-02 -2.7966e-02 1.5834e-04 12 8 8 10 0 0 9.58 23.36 0.58 -0.02797 -0.03834 254 41 1 5 0 202.840 26.11 20.00 23.36 19.74 5.4 954.58 -192138 -169935 -172267 -150899 -184587 -191978 -164527 -188480 -147056 -164789 -151320 -144219 -76638 -101484 -85991 -34762 -56567 -49971 -41388 -44249 -23529 -35414 -36371 -28749 -25287 -42461 -28965 -25117 -28994 -41496 -20025 -25337 -3760 -4981 -13520 -1585 -14321 -6343 850 4527 2233 3363 4305 8468 5386 13908 8161 8947 5935 8830 4694 7537 10269 10368 6588 5848 5020 4027 4129 2794 1906 4260 5645 5452 4430 2576 2373 1838 3620 5167 3466 2982 2572 17 -108 -2308 -3512 -3975 -3776 -2567 -1347 -2887 -1727 -1064 -519 -182 740 1192 1038 385 -76 -1551 -1576 -2175 -1696 -717 106 18 56 -708 -1156 -2185 -1602 -1328 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